Geometry & MOs

Info

ID:	80387
PubChem CID:	49834261
Reduced:	SF2O2N6H14C18 (1)
Stoich.:	AB2C2D6E14F18 (1)
Weight, g/mol:	444.118001
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	5.5
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]triazol-4-yl]-2-ethyl-5-phenyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CSC(=N1)CN2N=CC(=N2)NC(=O)C3=C(OC=N3)C4=CC=CC=C4)(F)F

DOS

IR

Vibrations